1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one

C11H18N2O — CID 82526863

IUPAC1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1cccc(CNC)c1=O
InChIInChI=1S/C11H18N2O/c1-4-9(2)13-7-5-6-10(8-12-3)11(13)14/h5-7,9,12H,4,8H2,1-3H3
InChIKeyWRLUZAJDAMOBJN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.54
Rot. Bonds4

About 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one

1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82526863) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
PubChem CID82526863
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1cccc(CNC)c1=O
InChIInChI=1S/C11H18N2O/c1-4-9(2)13-7-5-6-10(8-12-3)11(13)14/h5-7,9,12H,4,8H2,1-3H3
InChIKeyWRLUZAJDAMOBJN-UHFFFAOYSA-N
XLogP1.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
1-butan-2-yl-2-methylpyrrole
CID 90886743
1-(difluoromethyl)-3-ethylpyridin-2-one
CID 177136137
1-[(2R)-butan-2-yl]pyrrole-2-carbaldehyde
CID 93059389
1-[(2S)-butan-2-yl]pyrrole-2-carbaldehyde
CID 93059391
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526817
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-ylpyridin-2-one
CID 82526838
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one (CID 82526863) is 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one is CCC(C)n1cccc(CNC)c1=O.
What is the InChIKey of 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is WRLUZAJDAMOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9(2)13-7-5-6-10(8-12-3)11(13)14/h5-7,9,12H,4,8H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one?
1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).